Information card for entry 7225710

Structure parameters

• Formula: C27 H11.5 F N O P
• Calculated formula: C27 H19 F N O P
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)c1c(c2c(nc1)cccc2)c1ccc(F)cc1
• Title of publication: Synthesis of 3-phosphinoylquinolines via a phosphinoylation‒cyclization‒aromatization process mediated by tert-butyl hydroperoxide
• Authors of publication: Zhang, Pengbo; Zhang, Liangliang; Gao, Yuzhen; Tang, Guo; Zhao, Yufen
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 65
• Pages of publication: 60922
• a: 12.481 ± 0.003 Å
• b: 10.625 ± 0.002 Å
• c: 17.678 ± 0.004 Å
• α: 90°
• β: 108.484 ± 0.003°
• γ: 90°
• Cell volume: 2223.4 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1919
• Weighted residual factors for all reflections included in the refinement: 0.1958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.616
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No